2-(2-ethoxyethylsulfonylamino)-N-[3-(ethylaminomethyl)phenyl]acetamide

C15H25N3O4S — CID 119438596

IUPAC2-(2-ethoxyethylsulfonylamino)-N-[3-(ethylaminomethyl)phenyl]acetamide
SMILESCCNCc1cccc(NC(=O)CNS(=O)(=O)CCOCC)c1
InChIInChI=1S/C15H25N3O4S/c1-3-16-11-13-6-5-7-14(10-13)18-15(19)12-17-23(20,21)9-8-22-4-2/h5-7,10,16-17H,3-4,8-9,11-12H2,1-2H3,(H,18,19)
InChIKeyIJCIOMHUINOXKJ-UHFFFAOYSA-N
MW343.45 g/mol
LogP0.69
Rot. Bonds11

About 2-(2-ethoxyethylsulfonylamino)-N-[3-(ethylaminomethyl)phenyl]acetamide

2-(2-ethoxyethylsulfonylamino)-N-[3-(ethylaminomethyl)phenyl]acetamide (PubChem CID 119438596) has the molecular formula C15H25N3O4S and a molecular weight of 343.45 g/mol. Its IUPAC name is 2-(2-ethoxyethylsulfonylamino)-N-[3-(ethylaminomethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-ethoxyethylsulfonylamino)-N-[3-(ethylaminomethyl)phenyl]acetamide
PubChem CID119438596
Molecular FormulaC15H25N3O4S
Molecular Weight343.45 g/mol
Exact Mass343.16
IUPAC Name2-(2-ethoxyethylsulfonylamino)-N-[3-(ethylaminomethyl)phenyl]acetamide
SMILESCCNCc1cccc(NC(=O)CNS(=O)(=O)CCOCC)c1
InChIInChI=1S/C15H25N3O4S/c1-3-16-11-13-6-5-7-14(10-13)18-15(19)12-17-23(20,21)9-8-22-4-2/h5-7,10,16-17H,3-4,8-9,11-12H2,1-2H3,(H,18,19)
InChIKeyIJCIOMHUINOXKJ-UHFFFAOYSA-N
XLogP0.69
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(ethylaminomethyl)phenyl]-4-methylsulfonylbutanamide
CID 119438658
2-[3-[[2-(2-propan-2-yloxyethylsulfonylamino)acetyl]amino]phenyl]acetic acid
CID 119352057
2-(1,3-dihydro-2-benzofuran-5-ylsulfonylamino)-N-[3-(ethylaminomethyl)phenyl]acetamide
CID 119438096
4-ethoxy-N-[3-(propylaminomethyl)phenyl]butanamide
CID 106910729
N-[3-(ethylaminomethyl)phenyl]acetamide
CID 43601248
2-[2-[[2-(2-ethoxyethylsulfonylamino)acetyl]amino]phenyl]acetic acid
CID 119353239
N-[3-(ethylaminomethyl)phenyl]-3-methylbutanamide
CID 43601133
N-[3-(ethylaminomethyl)phenyl]-2-[(3-methylphenyl)carbamoylamino]acetamide;hydrochloride
CID 119438626
N-(2-amino-5-methoxyphenyl)-2-(2-ethoxyethylsulfonylamino)acetamide
CID 119421695
2-ethoxy-N-[3-(methylaminomethyl)phenyl]acetamide;hydrochloride
CID 119441041
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-2-(2-ethoxyethylsulfonylamino)acetamide
CID 71854121
N-[(3-methylphenyl)methyl]-2-(propylsulfonylamino)acetamide
CID 112992190

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethylsulfonylamino)-N-[3-(ethylaminomethyl)phenyl]acetamide?
The IUPAC name of 2-(2-ethoxyethylsulfonylamino)-N-[3-(ethylaminomethyl)phenyl]acetamide (CID 119438596) is 2-(2-ethoxyethylsulfonylamino)-N-[3-(ethylaminomethyl)phenyl]acetamide.
What is the SMILES notation for 2-(2-ethoxyethylsulfonylamino)-N-[3-(ethylaminomethyl)phenyl]acetamide?
The canonical SMILES for 2-(2-ethoxyethylsulfonylamino)-N-[3-(ethylaminomethyl)phenyl]acetamide is CCNCc1cccc(NC(=O)CNS(=O)(=O)CCOCC)c1.
What is the InChIKey of 2-(2-ethoxyethylsulfonylamino)-N-[3-(ethylaminomethyl)phenyl]acetamide?
The InChIKey is IJCIOMHUINOXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O4S/c1-3-16-11-13-6-5-7-14(10-13)18-15(19)12-17-23(20,21)9-8-22-4-2/h5-7,10,16-17H,3-4,8-9,11-12H2,1-2H3,(H,18,19).
What are the key properties of 2-(2-ethoxyethylsulfonylamino)-N-[3-(ethylaminomethyl)phenyl]acetamide?
2-(2-ethoxyethylsulfonylamino)-N-[3-(ethylaminomethyl)phenyl]acetamide has a molecular weight of 343.45 g/mol, XLogP of 0.69, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethylsulfonylamino)-N-[3-(ethylaminomethyl)phenyl]acetamide is sourced from PubChem (CID 119438596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).